P507-2002 Screening compound: methyl 3-(3-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazol-5-yl)benzoate

P507-2002 Screening compound: methyl 3-(3-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazol-5-yl)benzoate
P507-2002 Screening compound: methyl 3-(3-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazol-5-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P507-2002
methyl 3-(3-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazol-5-yl)benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

P507-2002

Molecular Formula

C20H16FN5O3 (C20 H16 FN5 O3)

Compound Name

methyl 3-(3-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazol-5-yl)benzoate

IUPAC name

methyl 3-(3-{1-[(4-fluorophenyl)methyl]-5-methyl-1H-123-triazol-4-yl}-124-oxadiazol-5-yl)benzoate

SMILES

Cc1c(-c2noc(-c3cc(C(OC)=O)ccc3)n2)nnn1Cc(cc1)ccc1F

InChI

InChI=1S/C20H16FN5O3/c1-12-17(23-25-26(12)11-13-6-8-16(21)9-7-13)18-22-19(29-24-18)14-4-3-5-15(10-14)20(27)28-2/h3-10H,11H2,1-2H3

InChI Key

JEYPHZDYCSXYAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27643815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.443

Distribution Coefficient, logD

3.443

Water Solubility, LogSw

-3.64

Polar Surface Area

79.525

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

P507-2002 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P507-2002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P507-2002?
Check Price and Availability of P507-2002, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P507-2002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P507-2002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P507-2002
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of P507-2002 available by request